2,4'-Dihydroxydiphenyl sulfone

C₁₂H₁₀O₄SCAS 5397-34-2250.27 g/mol

Open in Covalent MOL file

Phenol Sulfone

Properties

Molecular formula: C₁₂H₁₀O₄S
Molar mass: 250.27 g/mol
Exact mass: 250.0300 Da
Melting point: 184–185 °C
logP: 1.93Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed72.9% of notifiers
H312 Harmful in contact with skin72.9% of notifiers
H314 Causes severe skin burns and eye damage72.2% of notifiers
H332 Harmful if inhaled72.9% of notifiers
H341 Suspected of causing genetic defects72.2% of notifiers

Aggregated from 144 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

5397-34-2

SMILES

O=S(=O)(c1ccc(O)cc1)c1ccccc1O

InChIKey

LROZSPADHSXFJA-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O4S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8,13-14H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

2-[(4-Hydroxyphenyl)sulfonyl]phenol
Phenol, 2-[(4-hydroxyphenyl)sulfonyl]-
Phenol, 2,4′-sulfonyldi-
4,2′-Dihydroxydiphenyl sulfone
2,4′-Sulfonyldiphenol
2,4′-Dihydroxydiphenyl sulfone
NSC 2432
24BS
2,4′-Bisphenol sulfone
BPS 24
BPS 24C
24 Bisphenol S
2-(4-Hydroxyphenylsulfonyl)phenol
2-(4-Hydroxybenzenesulfonyl)phenol

Work with 2,4'-Dihydroxydiphenyl sulfone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Bis(phenylsulfonyl)phenol177325-75-657 % similar 4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol63134-33-846 % similar Sodium O-phenolsulfonate1300-51-244 % similar 4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenol95235-30-643 % similar 4-Hydroxybenzenesulfonic acid98-67-942 % similar 2,4′-Dihydroxybenzophenone606-12-242 % similar 2-(Phenylsulfonyl)aniline4273-98-742 % similar 4-(Methylsulfonyl)phenol14763-60-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,3′-Sulfonylbis[phenol]46765-03-1 Bisphenol S80-09-1 4,4′-Thiobis[1,3-benzenediol]97-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook